SCHEMBL3568563

SCHEMBL3568563

O=C(C1(Cc2ccccc2)COCCO1)C1(Cc2ccccc2)COCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FKBP1A P62942 1/20 0.36
HSD11B1 P28845 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
AKR1B1 P15121 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL229497 0.90 PPARG (0.42) PPARGPPARAMEN1KMT2ANPSR1
SCHEMBL16296491 0.88 PPARG (0.36) PPARGPPARAMEN1KMT2ANPSR1
SCHEMBL8315407 0.75 MAOA (0.37) MEN1KMT2ANPSR1FKBP1AOPRM1
SCHEMBL10029157 0.74 ALDH1A1 (0.42) NPSR1HSD11B1OPRM1OPRL1MAOA
SCHEMBL180960 0.74 MAOA (0.39) MEN1KMT2ANPSR1MAOAMAOB
SCHEMBL1009359 0.73 MAOA (0.38) MEN1KMT2ANPSR1FKBP1AMAOA
SCHEMBL1007966 0.73 MAOA (0.38) MEN1KMT2ANPSR1FKBP1AMAOA
SCHEMBL1009707 0.73 MAOA (0.38) MEN1KMT2ANPSR1FKBP1AMAOA
SCHEMBL3885101 0.72 MAOA (0.35) MEN1KMT2ANPSR1FKBP1AMAOA
SCHEMBL7383125 0.72 PPARG (0.48) PPARGPPARAMEN1KMT2ANPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834010-B2 Modulators of peripheral 5-HT receptors SERODUS AS (NO) 2010-11-16 US disclosed
US-20070254874-A1 Modulators of Preripheral 5-Ht Receptors BIO-MEDISINSK INNOVASJON (NO) 2007-11-01 US disclosed
EP-1112270-B1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1701951-A2 MODULATORS OF PERIPHERAL 5-HT RECEPTORS Bio-Medisinsk Innovasjon AS (NO) 2006-09-20 EP disclosed
WO-2005061483-A2 MODULATORS OF PERIPHERAL 5-HT RECEPTORS BIO-MEDISINSK INNOVASJON AS (NO) 2005-07-07 WO disclosed
EP-1112270-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-07-04 EP disclosed
US-6172062-B1 ANTISEROTONIN AGENTS; GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SYNTEX (USA) LLC 2001-01-09 US disclosed
WO-2000015636-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-03-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070254874-A1 Modulators of Preripheral 5-Ht Receptors HTR4, HTR5A, HTR6 PPARG 4306/4885PPARA 4502/4885MEN1 1689/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.